4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid

C13H9N3O3S — CID 106921178

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid
SMILESCc1coc(Sc2nc(C(=O)O)nc3ccccc23)n1
InChIInChI=1S/C13H9N3O3S/c1-7-6-19-13(14-7)20-11-8-4-2-3-5-9(8)15-10(16-11)12(17)18/h2-6H,1H3,(H,17,18)
InChIKeyYMSYTXTZQSGRRX-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.78
Rot. Bonds3

About 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid (PubChem CID 106921178) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid
PubChem CID106921178
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid
SMILESCc1coc(Sc2nc(C(=O)O)nc3ccccc23)n1
InChIInChI=1S/C13H9N3O3S/c1-7-6-19-13(14-7)20-11-8-4-2-3-5-9(8)15-10(16-11)12(17)18/h2-6H,1H3,(H,17,18)
InChIKeyYMSYTXTZQSGRRX-UHFFFAOYSA-N
XLogP2.78
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid (CID 106921178) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid is Cc1coc(Sc2nc(C(=O)O)nc3ccccc23)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid?
The InChIKey is YMSYTXTZQSGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c1-7-6-19-13(14-7)20-11-8-4-2-3-5-9(8)15-10(16-11)12(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid has a molecular weight of 287.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid is sourced from PubChem (CID 106921178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).